SCHEMBL5322173

SCHEMBL5322173

COC(=O)c1c(-c2cccc(OC)c2)csc1N

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 7/20 1.00
MAPT P10636 6/20 1.00
HSD17B10 Q99714 4/20 1.00
LMNA P02545 2/20 1.00
PRKCZ Q05513 11/20 0.71
HPGD P15428 3/20 0.71
MEN1 O00255 1/20 0.71
KMT2A Q03164 1/20 0.71
MAPK1 P28482 3/20 0.67
TSHR P16473 1/20 0.61
PRKCI P41743 2/20 0.60
KCNH2 Q12809 1/20 0.60
GAA P10253 1/20 0.58
RECQL P46063 1/20 0.58
CISD2 Q8N5K1 1/20 0.49

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL27729323 0.88 ALDH1A1 (0.79) ALDH1A1MAPTHSD17B10LMNAPRKCZ
SCHEMBL689790 0.88 ALDH1A1 (0.78) ALDH1A1MAPTHSD17B10LMNAPRKCZ
SCHEMBL15940127 0.85 ALDH1A1 (0.74) ALDH1A1MAPTHSD17B10LMNAPRKCZ
SCHEMBL3975901 0.85 ALDH1A1 (0.73) ALDH1A1MAPTHSD17B10LMNAPRKCZ
SCHEMBL3995640 0.83 ALDH1A1 (0.76) ALDH1A1MAPTHSD17B10LMNAPRKCZ
SCHEMBL688523 0.83 PRKCZ (1.00) ALDH1A1MAPTHSD17B10LMNAPRKCZ
SCHEMBL3979210 0.82 MAPT (0.69) ALDH1A1MAPTHSD17B10LMNAPRKCZ
SCHEMBL13837659 0.76 ALDH1A1 (0.69) ALDH1A1MAPTHSD17B10LMNAPRKCZ
SCHEMBL13837695 0.76 PRKCZ (1.00) ALDH1A1MAPTHSD17B10LMNAPRKCZ
SCHEMBL8288639 0.75 ALDH1A1 (0.76) ALDH1A1MAPTHSD17B10LMNAPRKCZ

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2007102679-A1 NOVEL THIENOPYRIMIDINE DERIVATIVES OR PHARMACEUTICALLY ACCEPTABLE SALTS THEREOF, PROCESS FOR THE PREPARATION THEREOF AND PHARMACEUTICAL COMPOSITION COMPRISING THE SAME JE IL PHARMACEUTICAL CO., LTD. (KR) 2007-09-13 WO disclosed